UCSF

ZINC00538580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 2.36 -8.38 0 8 0 110 360.366 7
Mid Mid (pH 6-8) 3.90 2.05 -8.53 0 8 0 110 360.366 7
Mid Mid (pH 6-8) 4.08 1.1 -8.35 0 8 0 110 360.366 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )